Cas no 79440-34-9 (6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine)

6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine structure
79440-34-9 structure
Product Name:6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine
CAS No:79440-34-9
MF:C9H9BrO2
MW:229.070562124252
CID:532835
PubChem ID:11107128
Update Time:2024-10-27

6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine Chemical and Physical Properties

Names and Identifiers

    • 6-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine
    • 1,4-Benzodioxin, 6-(bromomethyl)-2,3-dihydro-
    • 6-(Bromomethyl)-2,3-dihydro-1,4-benzodioxine
    • 6-bromomethyl-2,3-dihydrobenzo[1,4]dioxine
    • 2-bromomethyl-2,3-dihydro-1,4-benzodioxin
    • 3,4-ethylenedioxybenzyl bromide
    • 6-(bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxane
    • 6-Bromomethyl-2,3-dihydro-benzo[1,4]dioxine
    • AK114392
    • AM101294
    • CTK2G4170
    • RP05490
    • SureCN1743000
    • 6-(Bromomethyl)-2,3-dihydro-benzo[1,4]dioxine
    • E85060
    • A864861
    • DTXSID40455459
    • AKOS009317462
    • J-518048
    • 79440-34-9
    • DQYOHFCVPNOXQQ-UHFFFAOYSA-N
    • SCHEMBL1743000
    • EN300-1252135
    • 6-(Bromomethyl)-2,3-dihydro-1,4-benzodioxin (ACI)
    • 6-Bromomethyl-2,3-dihydrobenzo[1,4]dioxin
    • 6-Bromomethyl-2,3-dihydrobenzo[b][1,4]dioxine
    • DB-368908
    • 6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine
    • MDL: MFCD02681901
    • Inchi: 1S/C9H9BrO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6H2
    • InChI Key: DQYOHFCVPNOXQQ-UHFFFAOYSA-N
    • SMILES: BrCC1C=C2C(OCCO2)=CC=1

Computed Properties

  • Exact Mass: 227.97859g/mol
  • Monoisotopic Mass: 227.97859g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 152
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 18.5?2

6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine Security Information

6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine Pricemore >>

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6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Boron tribromide Solvents: Dichloromethane ;  rt; 8 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  pH 7, rt
Reference
Synthesis of phenylpiperazine derivatives of 1,4-benzodioxan as selective COX-2 inhibitors and anti-inflammatory agents
Sun, Juan; Wang, Su; Sheng, Gui-Hua; Lian, Zhi-Min; Liu, Han-Yu; et al, Bioorganic & Medicinal Chemistry, 2016, 24(21), 5626-5632

Production Method 2

Reaction Conditions
1.1 Reagents: Phosphorus tribromide Solvents: Dichloromethane ;  15 min, 0 - 5 °C; 5 h, 0 - 5 °C
Reference
Synthesis, antimycobacterial and antibacterial activity of ciprofloxacin derivatives containing a N-substituted benzyl moiety
Wang, Shuo; Jia, Xue-Dong; Liu, Ming-Liang; Lu, Yu; Guo, Hui-Yuan, Bioorganic & Medicinal Chemistry Letters, 2012, 22(18), 5971-5975

Production Method 3

Reaction Conditions
1.1 Reagents: Carbon tetrabromide ,  Triphenylphosphine Solvents: Dichloromethane ;  20 h, rt
Reference
Synthesis and antitumor activity of novel hybrid compounds between 1,4-benzodioxane and imidazolium salts
Liu, Zhengfen ; Zhang, Yaguan; Dong, Jianwei; Fang, Yongsheng; Jiang, Yonggang; et al, Archiv der Pharmazie (Weinheim, 2022, 355(10),

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus tribromide Solvents: Dichloromethane ;  cooled; 30 min, 0 °C
Reference
Synthesis and in vitro antibacterial activity of gemifloxacin derivatives containing a substituted benzyloxime moiety
Feng, Lianshun; Lv, Kai; Liu, Mingliang; Wang, Shuo; Zhao, Jing; et al, European Journal of Medicinal Chemistry, 2012, 55, 125-136

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol
1.2 Reagents: N-Bromosuccinimide ,  Triphenylphosphine Solvents: Dimethylformamide
Reference
Synthesis of isoquinolines and tetrahydroisoquinolines as potential antitumor agents
Capilla, A. S.; Romero, M.; Pujol, M. D.; Caignard, D. H.; Renard, P., Tetrahedron, 2001, 57(39), 8297-8303

6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine Raw materials

6-(Bromomethyl)-2,3-dihydrobenzob1,4dioxine Preparation Products

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